[Chimera-users] Minimize Structure While keeping charges

Michael Tomasini mtomas at rci.rutgers.edu
Wed May 16 14:48:50 PDT 2012


Hello,
     I was wondering if there was a way to read in charges from a .mol2
file in order to use those charges in the minimize structure utility.
 By default, it seems that minimize structure adds charges which can
be a rather time-consuming step.  If I already have the charges in a
.mol2 file, can these charges simply be used for the minimization?

Thanks,
Mike



More information about the Chimera-users mailing list